Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR02010002
Common NameCoenzyme Q6
Systematic Name-
Synonyms-
Exact Mass
590.4335 (neutral)    Calculate m/z:
FormulaC39H58O4
CategoryPrenol Lipids [PR]
Main ClassQuinones and hydroquinones [PR02]
Sub ClassUbiquinones [PR0201]
LIPIDBANK IDVCQ0002
PubChem CID5283544
KEGG IDC17568
HMDB IDHMDB06709
CHEBI ID52971
InChIKeyGXNFPEOUKFOTKY-LPHQIWJTSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+
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SMILES
C1(OC)C(=O)C(C)=C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C(=O)C=1OC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms43Rings1Aromatic Rings0Rotatable Bonds19
 van der Waals
Molecular Volume		679.66Topological Polar
Surface Area		52.60Hydrogen
Bond Donors		0Hydrogen
Bond Acceptors		4
 logP10.95Molar
Refractivity		182.76